3-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C18H12N2OS — CID 39199056

IUPAC3-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESO=Cc1cnc2scc(-c3ccc(-c4ccccc4)cc3)n12
InChIInChI=1S/C18H12N2OS/c21-11-16-10-19-18-20(16)17(12-22-18)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H
InChIKeyACAUNZDNEFLNAS-UHFFFAOYSA-N
MW304.37 g/mol
LogP4.54
Rot. Bonds3

About 3-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

3-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 39199056) has the molecular formula C18H12N2OS and a molecular weight of 304.37 g/mol. Its IUPAC name is 3-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name3-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID39199056
Molecular FormulaC18H12N2OS
Molecular Weight304.37 g/mol
Exact Mass304.07
IUPAC Name3-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESO=Cc1cnc2scc(-c3ccc(-c4ccccc4)cc3)n12
InChIInChI=1S/C18H12N2OS/c21-11-16-10-19-18-20(16)17(12-22-18)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H
InChIKeyACAUNZDNEFLNAS-UHFFFAOYSA-N
XLogP4.54
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 3-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 39199056) is 3-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 3-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 3-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is O=Cc1cnc2scc(-c3ccc(-c4ccccc4)cc3)n12.
What is the InChIKey of 3-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is ACAUNZDNEFLNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2OS/c21-11-16-10-19-18-20(16)17(12-22-18)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-12H.
What are the key properties of 3-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
3-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 304.37 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 39199056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).